2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine

C6H8IN3 — CID 89011856

IUPAC2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine
SMILESCI1Nc2cccnc2N1
InChIInChI=1S/C6H8IN3/c1-7-9-5-3-2-4-8-6(5)10-7/h2-4,9H,1H3,(H,8,10)
InChIKeyDWJYQFPBZZHDHD-UHFFFAOYSA-N
MW249.06 g/mol
LogP1.89
Rot. Bonds

About 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine

2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine (PubChem CID 89011856) has the molecular formula C6H8IN3 and a molecular weight of 249.06 g/mol. Its IUPAC name is 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine
PubChem CID89011856
Molecular FormulaC6H8IN3
Molecular Weight249.06 g/mol
Exact Mass248.98
IUPAC Name2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine
SMILESCI1Nc2cccnc2N1
InChIInChI=1S/C6H8IN3/c1-7-9-5-3-2-4-8-6(5)10-7/h2-4,9H,1H3,(H,8,10)
InChIKeyDWJYQFPBZZHDHD-UHFFFAOYSA-N
XLogP1.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 90724739
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CID 106110896
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4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one
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1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
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4-propan-2-ylidene-1H-1,8-naphthyridine
CID 58770052
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3H-dioxazolo[4,5-b]pyridine
CID 141204226
ethane;3-methyl-2,3-dihydro-1H-pyrazolo[4,3-b]pyridine
CID 145249796
(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 82396244
2-sulfanylidene-1,3,4,6-tetrahydropyrido[3,2-d][1,3,6]triazocin-5-one
CID 91726791
methanamine;1H-pyrazolo[5,4-b]pyridine
CID 143863701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine?
The IUPAC name of 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine (CID 89011856) is 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine.
What is the SMILES notation for 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine?
The canonical SMILES for 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine is CI1Nc2cccnc2N1.
What is the InChIKey of 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine?
The InChIKey is DWJYQFPBZZHDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3/c1-7-9-5-3-2-4-8-6(5)10-7/h2-4,9H,1H3,(H,8,10).
What are the key properties of 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine?
2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine has a molecular weight of 249.06 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydro-[1,2,5]iodadiazolo[3,4-b]pyridine is sourced from PubChem (CID 89011856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).